{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.635666 1.500837 2.371006 ] [ 1.689283 2.814467 0.5645773 ] [ 2.46942 4.224913 2.374581 ] [ 3.374683 1.495269 0.2101847 ] [ 3.693559 1.840027 2.268425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.635666e-10 1.500837e-10 2.371006e-10 ] [ 1.689283e-10 2.814467e-10 5.645773e-11 ] [ 2.46942e-10 4.224913e-10 2.374581e-10 ] [ 3.374683e-10 1.495269e-10 2.101847e-11 ] [ 3.693559e-10 1.840027e-10 2.268425e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9276688 -5.6934821 6.7762935 ] [ -9.6961161 7.9928328 -8.0313526 ] [ 1.0021452 1.9072916 0.7816669 ] [ 5.3327186 -4.5404274 -10.4580147 ] [ 14.2889211 0.3337852 10.931407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.750805547120559e-08 -9.121963911563287e-09 1.085681902137901e-08 ] [ -1.553489052798247e-08 1.28059298461234e-08 -1.286764536912129e-08 ] [ 1.60561361008694e-09 3.055818010568225e-09 1.252368432433212e-09 ] [ 8.543957066225307e-09 -7.27456662871973e-09 -1.675558665232273e-08 ] [ 2.289337532287582e-08 5.347828438090522e-10 1.751404472784946e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1124364 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.191026075406917e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3271333 1.2238206 2.4981098 ] [ 1.4740502 2.808831 0.633971 ] [ 2.816504 4.211866 2.1300178 ] [ 3.5739289 1.6896213 0.0451367 ] [ 3.6709945 1.9413742 2.4815387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3271333e-10 1.2238206e-10 2.4981098e-10 ] [ 1.4740502e-10 2.808831e-10 6.33971e-11 ] [ 2.816504e-10 4.211866e-10 2.1300178e-10 ] [ 3.5739289e-10 1.6896213e-10 4.51367e-12 ] [ 3.6709945e-10 1.9413742e-10 2.4815387e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 5.9e-06 -9.9e-06 ] [ -1.9e-06 -9.8e-06 9.6e-06 ] [ 5.1e-06 -7.3e-06 2.6e-06 ] [ 1.2e-06 1.1e-06 1.23e-05 ] [ 1.2e-06 1.01e-05 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 9.45284206272e-15 -1.586154854592e-14 ] [ -3.04413557952e-15 -1.570133088384e-14 1.538089555968e-14 ] [ 8.17110076608e-15 -1.169588933184e-14 4.16565921408e-15 ] [ 1.92261194496e-15 1.76239428288e-15 1.970677243584e-14 ] [ 1.92261194496e-15 1.618198387008e-14 -2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.950872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754523109577334e-18 } }